SCHEMBL3717427

SCHEMBL3717427

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1ccc2cc(N(S(C)(=O)=O)S(C)(=O)=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 7/20 0.51
▸ PDK1 Q15118 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ SCN2B O60939 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN1B Q07699 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ POLQ O75417 1/20 0.32
▸ MLNR O43193 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12083923 0.88 HPGDS (0.54) HPGDSCSNK1DDGAT1
SCHEMBL3217764 0.88 HPGDS (0.54) HPGDSCSNK1DDGAT1POLQMAP4K4
SCHEMBL12083909 0.84 HPGDS (0.51) HPGDSCSNK1DDGAT1EPHX2PPARG
SCHEMBL3810374 0.84 HPGDS (0.51) HPGDSCSNK1DDGAT1POLQMAP4K4
SCHEMBL2471757 0.84 HPGDS (0.54) HPGDSPDK1CSNK1DDGAT1POLQ
SCHEMBL14041378 0.84 HPGDS (0.51) HPGDSCSNK1DDGAT1POLQMAP4K4
SCHEMBL12083724 0.83 HPGDS (0.50) HPGDSCSNK1DEPHX2PPARGPOLQ
SCHEMBL12084048 0.82 HPGDS (0.49) HPGDSCSNK1DDGAT1MAP4K4
SCHEMBL12084161 0.81 HPGDS (0.49) HPGDSCSNK1D
SCHEMBL12083978 0.81 HPGDS (0.49) HPGDSDGAT1MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HPGDS 10/4885PDK1 167/4885CSNK1D 1144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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